SCHEMBL4602805

SCHEMBL4602805

O=C(NS(=O)(=O)CC1CC(=O)N(c2ccc(N3CCCCC3=O)cc2)C1)c1cc2ccc(Cl)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PRMT5 O14744 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5642201 0.87 F10 (0.48) F10F2MAPTLMNA
SCHEMBL4604856 0.84 CHRNA7 (0.42) F10F2MAPTLMNAPRMT5
SCHEMBL4605200 0.84 PRMT5 (0.39) F10F2MAPTLMNAKDM4E
SCHEMBL4594596 0.77 LMNA (0.39) F10MAPTLMNAKDM4EALDH1A1
SCHEMBL4603427 0.77 F10 (0.39) F10F2LMNAKDM4EALDH1A1
SCHEMBL4603648 0.76 LMNA (0.41) F10MAPTLMNAPRMT5
SCHEMBL1993627 0.75 F10 (0.66) F10F2MAPT
SCHEMBL1999163 0.75 F10 (0.68) F10F2MAPT
SCHEMBL4587961 0.75 F10 (0.47) F10F2MAPTLMNA
SCHEMBL5638175 0.73 F10 (0.40) F10F2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP disclosed
EP-1667647-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed